(6-carbamimidoyl-7,8-dihydronaphthalen-2-yl) 4-[ethyl(phenyl)carbamoyl]benzoate

Systemtic Name: (6-carbamimidoyl-7,8-dihydronaphthalen-2-yl) 4-[ethyl(phenyl)carbamoyl]benzoate Openeye Name: (6-carbamimidoyl-7,8-dihydronaphthalen-2-yl) 4-[ethyl(phenyl)carbamoyl]benzoate CAS Name: 4-[(N-ethylanilino)-oxomethyl]benzoic acid (6-carbamimidoyl-7,8-dihydronaphthalen-2-yl) ester IUPAC Name: (6-carbamimidoyl-7,8-dihydronaphthalen-2-yl) 4-[ethyl(phenyl)carbamoyl]benzoate Traditional Name: 4-[ethyl(phenyl)carbamoyl]benzoic acid (6-amidino-7,8-dihydronaphthalen-2-yl) ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(CC4)C(=N)N

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(CC4)C(=N)N

InChI

InChI=1S/C27H25N3O3/c1-2-30(23-6-4-3-5-7-23)26(31)18-8-10-19(11-9-18)27(32)33-24-15-14-20-16-22(25(28)29)13-12-21(20)17-24/h3-11,14-17H,2,12-13H2,1H3,(H3,28,29)